Geometry & MOs

Info

ID:	419157
PubChem CID:	135107621
Reduced:	N3O3C18H25 (2)
Stoich.:	A3B3C18D25 (2)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-225.95
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)N2C[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@@H](NC(=O)C2)C)C(C)C)CC4=CC=CC=C4)CN5CCCC5

DOS

IR

Vibrations